1-(2-fluorophenyl)-3-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)urea

C18H18FN5O2 — CID 17174433

IUPAC1-(2-fluorophenyl)-3-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)urea
SMILESO=C(Nc1ccccc1F)Nc1ccc(N2CCCCC2)c2nonc12
InChIInChI=1S/C18H18FN5O2/c19-12-6-2-3-7-13(12)20-18(25)21-14-8-9-15(17-16(14)22-26-23-17)24-10-4-1-5-11-24/h2-3,6-9H,1,4-5,10-11H2,(H2,20,21,25)
InChIKeyGCIWRQJLBRFNFE-UHFFFAOYSA-N
MW355.37 g/mol
LogP4.00
Rot. Bonds3

About 1-(2-fluorophenyl)-3-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)urea

1-(2-fluorophenyl)-3-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)urea (PubChem CID 17174433) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)urea
PubChem CID17174433
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name1-(2-fluorophenyl)-3-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)urea
SMILESO=C(Nc1ccccc1F)Nc1ccc(N2CCCCC2)c2nonc12
InChIInChI=1S/C18H18FN5O2/c19-12-6-2-3-7-13(12)20-18(25)21-14-8-9-15(17-16(14)22-26-23-17)24-10-4-1-5-11-24/h2-3,6-9H,1,4-5,10-11H2,(H2,20,21,25)
InChIKeyGCIWRQJLBRFNFE-UHFFFAOYSA-N
XLogP4.00
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)urea
CID 2954287
1-methyl-4-[(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)carbamoyl]pyrazole-5-carboxylic acid
CID 19496427
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)cyclopentanecarboxamide
CID 752810
1-(2-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544753
2-[[4-(azepan-1-yl)-2,1,3-benzoxadiazol-7-yl]hydrazinylidene]propanedinitrile
CID 169340242
2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide
CID 17173694
(2S)-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-2-phenylbutanamide
CID 27519968
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583413
(3S)-5-oxo-N-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 51589061
1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
CID 2814230
2-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 7492204
N-[(2-fluorophenyl)carbamoyl]-2-piperidin-1-ylacetamide
CID 8894654

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)urea?
The IUPAC name of 1-(2-fluorophenyl)-3-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)urea (CID 17174433) is 1-(2-fluorophenyl)-3-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)urea is O=C(Nc1ccccc1F)Nc1ccc(N2CCCCC2)c2nonc12.
What is the InChIKey of 1-(2-fluorophenyl)-3-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)urea?
The InChIKey is GCIWRQJLBRFNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c19-12-6-2-3-7-13(12)20-18(25)21-14-8-9-15(17-16(14)22-26-23-17)24-10-4-1-5-11-24/h2-3,6-9H,1,4-5,10-11H2,(H2,20,21,25).
What are the key properties of 1-(2-fluorophenyl)-3-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)urea?
1-(2-fluorophenyl)-3-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)urea has a molecular weight of 355.37 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(4-piperidin-1-yl-2,1,3-benzoxadiazol-7-yl)urea is sourced from PubChem (CID 17174433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).